1-ethyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-ethyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-ethyl-3-[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-ethyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-ethyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-ethyl-3-[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCNC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N5O3S/c1-3-21-20(26)23-17-7-10-19(22-15-17)24-11-4-12-25(14-13-24)29(27,28)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3,(H2,21,23,26)